Subject: LIST: Software over Internet

From: [email-masked] (Klaus J.W.May)
Date: Thu, 18 May 1995 01:58:21 +0200

Hi netters!

I reently asked for websites, where one can download computational chemistry sw.
Akinori Hirashima asked a similar question about chemistry related
websites. He got obviously a whole bunch of replies ( on the second run).
My harvest was much lesser, but i am sure that at many of those websites
one can download sw. Since I got more replies from colleagues who want the
compilation than actually  entries, I put it on the list :

Tadaa, here it is ( pretty poor, isn't it?)  B-)

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http://www.intsim.com/~isigen

Program SCULPT from Interactive Simulations. Newest release is on air since
one week. A new paradigm in interacting with biomolecules.A "physical
model" in the computer. Realtime minimization of torsions, vdw and
electrostatics from small organics to largest proteins with ligands, while
applying forces ("pulls") to atoms,residues, whole substructures, or
molecules.

DEMOVERSION FREE
Academic price US$ 600/Year.
Commercial 2.250/year.

Mark Surles, [email-masked]
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Hypercube has a web page set up now: http://www.hyper.com .  It has a
variety of things, including access to a working demo version of our
HyperChem software (and slide-show demos of ChemPlus and HyperNMR).
The demos are also available by ftp from ftp.hyper.com, /pub/demo/*
Joel Polowin, Ph.D.   Manager, Scientific Support
Email to: [email-masked]

Hypercube Inc, 419 Phillip St, Waterloo, Ont, Canada N2L 3X2 (519)725-4040
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Recently, I announced version 1.0 of my program MolEdit on this forum.
Due to the fact that some people had problems to download the files
from my FTP-server I uploaded them to ftp.ccl.net.
This is also a newer version of MolEdit (1.0.b) that allows to create
HPGL-files of the graphical display, so that the pictures can be used
in other programs.
Additional information is available at the WWW-page:

http://pctc.chemie.uni-erlangen.de/~gedeck/moledit.html

To download the program either access my FTP-server (in Europe) at
pctc.chemie.uni-erlangen.de (131.188.120.2) in directory  /pub/moled
or use the CCL archives:
via anonymous ftp
  www.ccl.net in /pub/chemistry/software/MS-DOS/MolEdit
via gopher
  gopher gopher.ccl.net 73
    software --> MS-DOS --> MolEdit
via WWW:
  http://www.ccl.net/chemistry.html
    C.C.Archive --> Software --> software archives --> MS-DOS --> MolEdit

Peter Gedeck
Inst. f. Physikalische Chemie I
Egerlandstrasse 3
91058 Erlangen
-----------------------------------------------------------

You might want to include the PMD home page in your compilation.
It is an experimental parallel molecular dynamics package that is
freely available for academic purposes. It features the fast multipole
algorithm for the efficient calculation of long range interactions.

URL: "http://tincan.bioc.columbia.edu/pmd/"

Andreas Windemuth
|Columbia University, Department of Biochemistry and Biophysics
|630 West 168th St. BB-221 | tel: (212)-305-6884, fax: 6926, NeXTmail
|New York, NY 10032        | email: [email-masked]

-----------------------------------------------------------

LOOK from MAG (molecular Applications Group) has an ftp site
from which you can pick up the latest version and then you unlock
the software for a trial run with a password obtained via email.
Not freely available, but easy enough.  The main problem to me
is that it takes a LONG time to download 18 MB across the Atlantic.

Leif Norskov
Novo Nordisk A/S
Copenhagen
Denmark
[email-masked]

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please check

http://www.mdli.com

for the availability of ISIS/Draw.
This is not a demo version: it is the full application and is FREE for
academic and personal home use.

 Osman F. Guner, PhD,  -- Senior Scientist
 MDL Information Systems, Inc.  (510) 895-1313
 [email-masked]
-----------------------------------------------------------

Klaus J.W. May                     e-mail:          [email-masked]
May & Partner SciTech Consult      Phone/Fax:       xx49-(89) 333 569
Mandlstr. 15                       Mobile national: 0172-620 38 38
                                     international: xx49-172-620 30 38
D - 80802 Munich
GERMANY